Quantitative Structure Activity Relationships (QSARs) on Lipoxygenase Inhibitors

ISSN: 1875-614X (Online)
ISSN: 1871-5230 (Print)

Volume 16, 3 Issues, 2017

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Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry

Formerly: Current Medicinal Chemistry - Anti-Inflammatory and Anti-Allergy Agents

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Claudiu T. Supuran
Neurofarba Department
University of Florence

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Quantitative Structure Activity Relationships (QSARs) on Lipoxygenase Inhibitors

Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry, 3(2): 139-156.

Author(s): Eleni Pontiki and Dimitra Hadjipavlou-Litina.

Affiliation: Department of Pharmaceutical Chemistry, School of Pharmacy,Aristotelian University ofThessaloniki, Thessaloniki, 54124, Greece


Eicosanoids are a family of lipid mediators derived from the metabolism of arachidonic acid. The cascade involves two major pathways: the lipoxygenase is the first enzyme in a cascade which produces leukotrienes (LTs); while cyclooxygenase (COX) initiates the cyclic pathway leading to prostanoids. These eicosanoids have a wide range of biological actions including potent effects on inflammation and immunity. This paper contains a QSAR study for LOX inhibitors. It reveals that in almost all cases, the clog P parameter plays an important role in the QSAR relationships (linear or bilinear model). In some cases the steric factors, such as the overall molar refractivity (CMR) or molar refractivity of the substituents (MR), are important. Electronic effects are comparatively unimportant. The study shows that log P as calculated from the Clog P program is suitable for this form of QSAR study.


qsar, lox inhibitors, hydrophobicity, steric factors, electronic effects.

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Article Details

Volume: 3
Issue Number: 2
First Page: 139
Last Page: 156
Page Count: 18
DOI: 10.2174/1568014043355375
Price: $58

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